Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Cc1ccc(cc1)C(C)CO)N1CCN(CC1)c1ccc(C#N)nn1 |
InChI | InChI | 1.03 | InChI=1S/C20H23N5O2/c1-15(14-26)17-4-2-16(3-5-17)12-20(27)25-10-8-24(9-11-25)19-7-6-18(13-21)22-23-19/h2-7,15,26H,8-12,14H2,1H3/t15-/m0/s1 |
InChIKey | InChI | 1.03 | YTRLPBJDLDKLMQ-HNNXBMFYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](CO)c1ccc(CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)cc1 |
SMILES | CACTVS | 3.385 | C[CH](CO)c1ccc(CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](CO)c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(CO)c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N |